N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide

C18H15ClFN3O2 — CID 166351348

IUPACN-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide
SMILESCCC(NC(=O)c1n[nH]c2c(F)cccc2c1=O)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClFN3O2/c1-2-14(10-5-3-6-11(19)9-10)21-18(25)16-17(24)12-7-4-8-13(20)15(12)22-23-16/h3-9,14H,2H2,1H3,(H,21,25)(H,22,24)
InChIKeyFVZCQABXZMIECH-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.60
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide

N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide (PubChem CID 166351348) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide
PubChem CID166351348
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide
SMILESCCC(NC(=O)c1n[nH]c2c(F)cccc2c1=O)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClFN3O2/c1-2-14(10-5-3-6-11(19)9-10)21-18(25)16-17(24)12-7-4-8-13(20)15(12)22-23-16/h3-9,14H,2H2,1H3,(H,21,25)(H,22,24)
InChIKeyFVZCQABXZMIECH-UHFFFAOYSA-N
XLogP3.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide (CID 166351348) is N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide is CCC(NC(=O)c1n[nH]c2c(F)cccc2c1=O)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide?
The InChIKey is FVZCQABXZMIECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-2-14(10-5-3-6-11(19)9-10)21-18(25)16-17(24)12-7-4-8-13(20)15(12)22-23-16/h3-9,14H,2H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide?
N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide is sourced from PubChem (CID 166351348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).